| Properties | Image |
| MNX_ID | MNXM1125489 |
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| reference | chebi:162901 |
| formula | C11H19N5O7 |
| global charge | 0 |
| mol weight | 333.301 |
| InChIKey | OOKCGAYXSNJBGQ-ZLUOBGJFSA-N |
| InChI | InChI=1S/C11H19N5O7/c12-4(3-17)9(20)15-5(1-7(13)18)10(21)16-6(11(22)23)2-8(14)19/h4-6,17H,1-3,12H2,(H2,13,18)(H2,14,19)(H,15,20)(H,16,21)(H,22,23)/t4-,5-,6-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H19N5O7/c12-4(3-17)9(20)15-5(1-7(13)18)10(21)16-6(11(22)23)2-8(14)19/h4-6,17H,1-3,12H2,(H2,13,18)(H2,14,19)(H,15,20)(H,16,21)(H,22,23)/t4-,5-,6-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([C@@H:5]([C:10](=[N:16][C@@H:6]([CH2:2][C:8](=[NH:14])[OH:19])[C:11](=[O:22])[OH:23])[OH:21])[N:15]=[C:9]([C@H:4]([CH2:3][OH:17])[NH2:12])[OH:20])[C:7](=[NH:13])[OH:18] |
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